(3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-imidazol-1-yl)methyl-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: (3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-imidazol-1-yl)methyl-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: (3-cyclopentyl-4,5-dimethyl-2-thioxo-imidazol-1-yl)methyl-[(3,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: (3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-1-imidazolyl)methyl-[(3,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: (3-cyclopentyl-4,5-dimethyl-2-sulfanylideneimidazol-1-yl)methyl-[(3,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: (3-cyclopentyl-4,5-dimethyl-2-thioxo-4-imidazolin-1-yl)methyl-methyl-veratryl-ammonium Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)N1C[NH+](C)CC2=CC(=C(C=C2)OC)OC)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=S)N1C[NH+](C)CC2=CC(=C(C=C2)OC)OC)C3CCCC3)C

InChI

InChI=1S/C21H31N3O2S/c1-15-16(2)24(18-8-6-7-9-18)21(27)23(15)14-22(3)13-17-10-11-19(25-4)20(12-17)26-5/h10-12,18H,6-9,13-14H2,1-5H3/p+1